3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one

C12H16N4OS — CID 113251679

IUPAC3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
SMILESCCc1cnc(C(C)Nc2nccn(C)c2=O)s1
InChIInChI=1S/C12H16N4OS/c1-4-9-7-14-11(18-9)8(2)15-10-12(17)16(3)6-5-13-10/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyUQQCGOZFTJSDKN-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.97
Rot. Bonds4

About 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one

3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one (PubChem CID 113251679) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
PubChem CID113251679
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
SMILESCCc1cnc(C(C)Nc2nccn(C)c2=O)s1
InChIInChI=1S/C12H16N4OS/c1-4-9-7-14-11(18-9)8(2)15-10-12(17)16(3)6-5-13-10/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyUQQCGOZFTJSDKN-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
CID 106579895
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one (CID 113251679) is 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one is CCc1cnc(C(C)Nc2nccn(C)c2=O)s1.
What is the InChIKey of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one?
The InChIKey is UQQCGOZFTJSDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-9-7-14-11(18-9)8(2)15-10-12(17)16(3)6-5-13-10/h5-8H,4H2,1-3H3,(H,13,15).
What are the key properties of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one?
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 113251679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).